4-Cyclohexyl-2,6-dinitrophenol

Base Information

• Chemical Name: 4-Cyclohexyl-2,6-dinitrophenol
• CAS No.: 4097-58-9
• Molecular Formula: C12H14N2O5
• Molecular Weight: 266.25
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID70193973
• Nikkaji Number: J1.553.711F
• Wikidata: Q83066699
• Mol file: 4097-58-9.mol

Synonyms:4-CYCLOHEXYL-2,6-DINITROPHENOL;4097-58-9;PHENOL,4-CYCLOHEXYL-2,6-DINITRO-;DTXSID70193973

Chemical Property of 4-Cyclohexyl-2,6-dinitrophenol

Chemical Property:

• Vapor Pressure: 8.3E-05mmHg at 25°C
• Refractive Index: 1.612
• Boiling Point: 331.1 °C at 760 mmHg
• Flash Point: 134.7 °C
• PSA: 111.87000
• Density: 1.381 g/cm³
• LogP: 4.30270
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 266.09027155
• Heavy Atom Count: 19
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Technology Process of 4-Cyclohexyl-2,6-dinitrophenol

There total 4 articles about 4-Cyclohexyl-2,6-dinitrophenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

p-cyclohexylphenol (1131-60-8) → 3.5-dinitro-4-hydroxy-1-cyclohexyl-benzene (4097-58-9)

Guidance literature:

With nitric acid; phosphorus pentoxide; ethyl acetate; at 0 - 5 ℃;

DOI:10.1021/ja01332a046

Reference yield:

cyclohexanol (108-93-0) → 3.5-dinitro-4-hydroxy-1-cyclohexyl-benzene (4097-58-9)

Guidance literature:

Multi-step reaction with 2 steps

1: P₂O₅ / 100 °C

2: ethyl acetate; P₂O₅; fuming nitric acid / 0 - 5 °C

With nitric acid; phosphorus pentoxide; ethyl acetate;

DOI:10.1021/ja01332a046

Reference yield:

nitric acid (7697-37-2,78989-43-2) + ethyl acetate (141-78-6) + p-cyclohexylphenol (1131-60-8) → 3.5-dinitro-4-hydroxy-1-cyclohexyl-benzene (4097-58-9)

Guidance literature:

at 0 - 5 ℃;

DOI:10.1021/ja01332a046

upstream raw materials:

p-cyclohexylphenol

chloroform

nitric acid

ethyl acetate

Downstream raw materials:

2-Amino-4-cyclohexyl-6-nitro-phenol

pent-4-enoic acid-(4-cyclohexyl-2,6-dinitro-phenyl ester)